SCHEMBL6543188

SCHEMBL6543188

CC1CCN(C(=O)[C@H](CCCc2ccc(N)cn2)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
F10 P00742 1/20 0.37
PDK2 Q15119 1/20 0.35
CCR10 P46092 3/20 0.33
HPGD P15428 2/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
KDM5A P29375 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ACHE P22303 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7170590 0.89 F2 (0.39) F2F10PDK2CCR10HPGD
SCHEMBL6605447 0.81 F2 (0.39) F2F10CCR10HPGDKDM5A
Hydrochloric Acid SCHEMBL6543323 0.80 F2 (0.41) F2F10CCR10HPGDKDM5A
SCHEMBL6606793 0.79 F2 (0.45) F2F10CCR10ALDH1A1MEN1
SCHEMBL1338213 0.79 ALDH1A1 (0.40) HPGDHCRTR2ALDH1A1KMT2AHRH3
SCHEMBL1335996 0.75 HPGD (0.39) F2CCR10HPGDUSP2ALDH1A1
SCHEMBL27483973 0.75 F2 (0.40) F2F10CCR10HPGDKDM5A
SCHEMBL1336214 0.74 CHRM1 (0.41) HPGDKMT2ACHRM1HRH3
SCHEMBL6543220 0.74 F2 (0.42) F2F10
SCHEMBL1337248 0.72 HPGD (0.40) CCR10HPGDUSP2ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 F2 7/4885F10 99/4885PDK2 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.